1-(2,3-dinitrophenyl)-2,5-bis(oxidanyl)pentan-1-one

Systemtic Name: 1-(2,3-dinitrophenyl)-2,5-bis(oxidanyl)pentan-1-one Openeye Name: 1-(2,3-dinitrophenyl)-2,5-dihydroxy-pentan-1-one CAS Name: 1-(2,3-dinitrophenyl)-2,5-dihydroxy-1-pentanone IUPAC Name: 1-(2,3-dinitrophenyl)-2,5-dihydroxypentan-1-one Traditional Name: 1-(2,3-dinitrophenyl)-2,5-dihydroxy-pentan-1-one Formula: C11H12N2O7 MolecularWeight: 284.22218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CCCO)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CCCO)O

InChI

InChI=1S/C11H12N2O7/c14-6-2-5-9(15)11(16)7-3-1-4-8(12(17)18)10(7)13(19)20/h1,3-4,9,14-15H,2,5-6H2